Chemical Properties of 1,3-Butanediol (CAS 107-88-0)

InChI

InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3

InChI Key

PUPZLCDOIYMWBV-UHFFFAOYSA-N

Formula

C4H10O2

SMILES

CC(O)CCO

Molecular Weight¹

90.12

CAS

107-88-0

Other Names

• (RS)-1,3-Butanediol
• (±)-1,3-butanediol
• .alpha.-methyltrimethyleneglycol
• .beta.-butylene glycol
• 1,3-Butandiol
• 1,3-Butanodiol
• 1,3-Butylenglykol
• 1,3-butanediol, DL-
• 1,3-butylene glycol
• 1,3-dihydroxybutane
• 1-methyl-1,3-propanediol
• BD
• BETA-BUTYLENE GLYCOL
• Butane-1,3-diol
• Butanediol,1,3-
• Butylene glycol
• DL-1,3-butanediol
• Methyltrimethylene glycol
• NSC 402145
• «beta»-Butylene glycol

• ω : Acentric Factor.
• T_ig : Autoignition Temperature (K).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• EA : Electron affinity (eV).
• ε_r : Dielectric Constant (Relative permittivity).
• T_flash,cc : Flash Point (Closed Cup Method) (K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• NFPA Safety : NFPA Safety Rating.
• P_c : Critical Pressure (kPa).
• pKa : Log10 of Acid Dissociation Constant.
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• ρ_c : Critical density (kg/m³).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• c_sound,fluid : Speed of sound in fluid (m/s).
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7206		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tig	668.15	K	NCMS SOLV-DB
ΔcH°liquid	[-2502.20; -2488.00]	kJ/mol
ΔcH°liquid	-2502.20 ± 2.10	kJ/mol	NIST
ΔcH°liquid	-2488.00	kJ/mol	NIST
Cp,liquid	218.89	J/mol×K	Molar heat capacities for {isomer of butanediol + methanol} as function of mixture composition and temperature
EA	0.01 ± 0.00	eV	NIST
εr	28.80		NCMS SOLV-DB
Tflash,cc	394.15	K	NCMS SOLV-DB
ΔfG°	-293.28	kJ/mol	Joback Calculated Property
ΔfH°gas	[-447.10; -433.00]	kJ/mol
ΔfH°gas	-433.00 ± 3.00	kJ/mol	NIST
ΔfH°gas	-447.10	kJ/mol	NIST
ΔfH°liquid	[-515.10; -501.00]	kJ/mol
ΔfH°liquid	-501.00 ± 2.00	kJ/mol	NIST
ΔfH°liquid	-515.10	kJ/mol	NIST
ΔfusH°	10.77	kJ/mol	Joback Calculated Property
ΔvapH°	[67.78; 74.50]	kJ/mol
ΔvapH°	67.78	kJ/mol	NCMS SOLV-DB
ΔvapH°	72.60 ± 0.30	kJ/mol	NIST
ΔvapH°	72.80 ± 0.60	kJ/mol	NIST
ΔvapH°	74.50 ± 1.00	kJ/mol	NIST
ΔvapH°	68.00	kJ/mol	NIST
IE	10.06	eV	Relay (1.0) Calculated Property
log10WS	0.76		Relay (1.0) Calculated Property
logPoct/wat	-1.384		NCMS SOLV-DB
McVol	78.960	ml/mol	McGowan Calculated Property
NFPA Fire	[%!d(float64=1); %!d(float64=1)]
NFPA Fire	1		KDB
NFPA Fire	1		NCMS SOLV-DB
NFPA Health	[%!d(float64=1); %!d(float64=1)]
NFPA Health	1		KDB
NFPA Health	1		NCMS SOLV-DB
NFPA Safety	0		NCMS SOLV-DB
Pc	[4000.00; 5180.00]	kPa
Pc	5180.00	kPa	Critical Point and Vapor Pressure Measurements for 17 Compounds by a Low Residence Time Flow Method
Pc	4000.00	kPa	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Pc	4020.00	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	4020.00 ± 250.00	kPa	NIST
pKa	15.10		NCMS SOLV-DB
ρc	294.79 ± 11.72	kg/m3	NIST
Inp	[765.00; 821.00]
Inp	801.00		NIST
Inp	789.00		NIST
Inp	821.00		NIST
Inp	789.00		NIST
Inp	810.00		NIST
Inp	785.00		NIST
Inp	815.00		NIST
Inp	777.00		NIST
Inp	782.00		NIST
Inp	789.00		NIST
Inp	788.00		NIST
Inp	801.00		NIST
Inp	765.00		NIST
Inp	777.00		NIST
Inp	784.00		NIST
Inp	784.00		NIST
Inp	821.00		NIST
Inp	785.00		NIST
Inp	788.00		NIST
Ip	[1556.00; 1619.00]
Ip	1556.00		NIST
Ip	1556.00		NIST
Ip	1578.00		NIST
Ip	1576.00		NIST
Ip	1594.00		NIST
Ip	1558.00		NIST
Ip	1600.00		NIST
Ip	1594.00		NIST
Ip	1619.00		NIST
Ip	1556.00		NIST
Ip	1576.00		NIST
Ip	1594.00		NIST
Tboil	[476.70; 481.43]	K
Tboil	480.65	K	NCMS SOLV-DB
Tboil	Outlier 476.70	K	NIST
Tboil	481.43 ± 0.05	K	NIST
Tboil	480.15 ± 1.00	K	NIST
Tboil	480.65 ± 1.00	K	NIST
Tboil	481.15 ± 1.00	K	NIST
Tboil	480.15 ± 1.00	K	NIST
Tboil	478.65 ± 3.00	K	NIST
Tboil	480.65 ± 0.70	K	NIST
Tc	[676.00; 676.00]	K
Tc	676.00	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Tc	676.00	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	676.00 ± 2.00	K	NIST
Tfus	196.15	K	NCMS SOLV-DB
Vc	[0.305; 0.306]	m3/kmol
Vc	0.305	m3/kmol	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Vc	0.306	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Zc	0.2170000		IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	227.20	J/mol×K	303.00	NIST
η	[0.0305050; 0.1303250]	Pa×s	[293.15; 318.15]
η	0.1303250	Pa×s	293.15	Molecular interactions in binary mixtures of formamide with 1-butanol, 2-butanol, 1,3-butanediol and 1,4-butanediol at different temperatures: An ultrasonic and viscometric study
η	0.0972620	Pa×s	298.15	Molecular interactions in binary mixtures of formamide with 1-butanol, 2-butanol, 1,3-butanediol and 1,4-butanediol at different temperatures: An ultrasonic and viscometric study
η	0.0983000	Pa×s	298.15	NCMS SOLV-DB
η	0.0698440	Pa×s	303.15	Molecular interactions in binary mixtures of formamide with 1-butanol, 2-butanol, 1,3-butanediol and 1,4-butanediol at different temperatures: An ultrasonic and viscometric study
η	0.0525420	Pa×s	308.15	Molecular interactions in binary mixtures of formamide with 1-butanol, 2-butanol, 1,3-butanediol and 1,4-butanediol at different temperatures: An ultrasonic and viscometric study
η	0.0394180	Pa×s	313.15	Molecular interactions in binary mixtures of formamide with 1-butanol, 2-butanol, 1,3-butanediol and 1,4-butanediol at different temperatures: An ultrasonic and viscometric study
η	0.0305050	Pa×s	318.15	Molecular interactions in binary mixtures of formamide with 1-butanol, 2-butanol, 1,3-butanediol and 1,4-butanediol at different temperatures: An ultrasonic and viscometric study
ΔvapH	[54.40; 72.30]	kJ/mol	[373.00; 451.50]
ΔvapH	68.00 ± 2.00	kJ/mol	373.00	NIST
ΔvapH	59.70	kJ/mol	398.00	NIST
ΔvapH	67.60	kJ/mol	422.50	NIST
ΔvapH	72.30 ± 0.80	kJ/mol	441.50	NIST
ΔvapH	68.30 ± 0.70	kJ/mol	441.50	NIST
ΔvapH	64.10 ± 0.60	kJ/mol	441.50	NIST
ΔvapH	59.50 ± 0.50	kJ/mol	441.50	NIST
ΔvapH	54.40 ± 0.60	kJ/mol	441.50	NIST
ΔvapH	58.10	kJ/mol	451.50	NIST
Pvap	[1.39e-03; 41.39]	kPa	[288.30; 453.10]
Pvap	1.39e-03	kPa	288.30	Vapor Pressures and Enthalpies of Vaporization of a Series of the 1,3-Alkanediols
Pvap	1.68e-03	kPa	290.30	Vapor Pressures and Enthalpies of Vaporization of a Series of the 1,3-Alkanediols
Pvap	2.35e-03	kPa	292.90	Vapor Pressures and Enthalpies of Vaporization of a Series of the 1,3-Alkanediols
Pvap	8.00e-03	kPa	298.15	NCMS SOLV-DB
Pvap	6.51e-03	kPa	303.50	Vapor Pressures and Enthalpies of Vaporization of a Series of the 1,3-Alkanediols
Pvap	9.94e-03	kPa	308.30	Vapor Pressures and Enthalpies of Vaporization of a Series of the 1,3-Alkanediols
Pvap	0.01	kPa	311.30	Vapor Pressures and Enthalpies of Vaporization of a Series of the 1,3-Alkanediols
Pvap	0.02	kPa	314.30	Vapor Pressures and Enthalpies of Vaporization of a Series of the 1,3-Alkanediols
Pvap	0.02	kPa	317.30	Vapor Pressures and Enthalpies of Vaporization of a Series of the 1,3-Alkanediols
Pvap	0.03	kPa	320.30	Vapor Pressures and Enthalpies of Vaporization of a Series of the 1,3-Alkanediols
Pvap	0.04	kPa	323.30	Vapor Pressures and Enthalpies of Vaporization of a Series of the 1,3-Alkanediols
Pvap	0.05	kPa	326.30	Vapor Pressures and Enthalpies of Vaporization of a Series of the 1,3-Alkanediols
Pvap	0.06	kPa	329.30	Vapor Pressures and Enthalpies of Vaporization of a Series of the 1,3-Alkanediols
Pvap	0.07	kPa	332.30	Vapor Pressures and Enthalpies of Vaporization of a Series of the 1,3-Alkanediols
Pvap	2.43	kPa	387.75	Isobaric Vapor Liquid Equilibria for the Binary Mixtures Composed of Ethylene Glycol, 1,2-Propylene Glycol, 1,2-Butanediol, and 1,3-Butanediol at 10.00 kPa
Pvap	3.60	kPa	395.13	Isobaric Vapor Liquid Equilibria for the Binary Mixtures Composed of Ethylene Glycol, 1,2-Propylene Glycol, 1,2-Butanediol, and 1,3-Butanediol at 10.00 kPa
Pvap	5.03	kPa	402.05	Isobaric Vapor Liquid Equilibria for the Binary Mixtures Composed of Ethylene Glycol, 1,2-Propylene Glycol, 1,2-Butanediol, and 1,3-Butanediol at 10.00 kPa
Pvap	6.26	kPa	406.61	Isobaric Vapor Liquid Equilibria for the Binary Mixtures Composed of Ethylene Glycol, 1,2-Propylene Glycol, 1,2-Butanediol, and 1,3-Butanediol at 10.00 kPa
Pvap	7.72	kPa	411.11	Isobaric Vapor Liquid Equilibria for the Binary Mixtures Composed of Ethylene Glycol, 1,2-Propylene Glycol, 1,2-Butanediol, and 1,3-Butanediol at 10.00 kPa
Pvap	8.54	kPa	413.41	Isobaric Vapor Liquid Equilibria for the Binary Mixtures Composed of Ethylene Glycol, 1,2-Propylene Glycol, 1,2-Butanediol, and 1,3-Butanediol at 10.00 kPa
Pvap	10.00	kPa	416.91	Isobaric Vapor Liquid Equilibria for the Binary Mixtures Composed of Ethylene Glycol, 1,2-Propylene Glycol, 1,2-Butanediol, and 1,3-Butanediol at 10.00 kPa
Pvap	10.48	kPa	418.03	Isobaric Vapor Liquid Equilibria for the Binary Mixtures Composed of Ethylene Glycol, 1,2-Propylene Glycol, 1,2-Butanediol, and 1,3-Butanediol at 10.00 kPa
Pvap	11.87	kPa	420.85	Isobaric Vapor Liquid Equilibria for the Binary Mixtures Composed of Ethylene Glycol, 1,2-Propylene Glycol, 1,2-Butanediol, and 1,3-Butanediol at 10.00 kPa
Pvap	12.54	kPa	422.04	Isobaric Vapor Liquid Equilibria for the Binary Mixtures Composed of Ethylene Glycol, 1,2-Propylene Glycol, 1,2-Butanediol, and 1,3-Butanediol at 10.00 kPa
Pvap	14.63	kPa	425.80	Isobaric Vapor Liquid Equilibria for the Binary Mixtures Composed of Ethylene Glycol, 1,2-Propylene Glycol, 1,2-Butanediol, and 1,3-Butanediol at 10.00 kPa
Pvap	15.84	kPa	427.74	Isobaric Vapor Liquid Equilibria for the Binary Mixtures Composed of Ethylene Glycol, 1,2-Propylene Glycol, 1,2-Butanediol, and 1,3-Butanediol at 10.00 kPa
Pvap	17.09	kPa	429.75	Isobaric Vapor Liquid Equilibria for the Binary Mixtures Composed of Ethylene Glycol, 1,2-Propylene Glycol, 1,2-Butanediol, and 1,3-Butanediol at 10.00 kPa
Pvap	19.96	kPa	433.71	Isobaric Vapor Liquid Equilibria for the Binary Mixtures Composed of Ethylene Glycol, 1,2-Propylene Glycol, 1,2-Butanediol, and 1,3-Butanediol at 10.00 kPa
Pvap	22.24	kPa	436.29	Isobaric Vapor Liquid Equilibria for the Binary Mixtures Composed of Ethylene Glycol, 1,2-Propylene Glycol, 1,2-Butanediol, and 1,3-Butanediol at 10.00 kPa
Pvap	25.30	kPa	439.65	Isobaric Vapor Liquid Equilibria for the Binary Mixtures Composed of Ethylene Glycol, 1,2-Propylene Glycol, 1,2-Butanediol, and 1,3-Butanediol at 10.00 kPa
Pvap	28.15	kPa	442.45	Isobaric Vapor Liquid Equilibria for the Binary Mixtures Composed of Ethylene Glycol, 1,2-Propylene Glycol, 1,2-Butanediol, and 1,3-Butanediol at 10.00 kPa
Pvap	30.78	kPa	444.75	Isobaric Vapor Liquid Equilibria for the Binary Mixtures Composed of Ethylene Glycol, 1,2-Propylene Glycol, 1,2-Butanediol, and 1,3-Butanediol at 10.00 kPa
Pvap	33.36	kPa	447.01	Isobaric Vapor Liquid Equilibria for the Binary Mixtures Composed of Ethylene Glycol, 1,2-Propylene Glycol, 1,2-Butanediol, and 1,3-Butanediol at 10.00 kPa
Pvap	36.78	kPa	449.80	Isobaric Vapor Liquid Equilibria for the Binary Mixtures Composed of Ethylene Glycol, 1,2-Propylene Glycol, 1,2-Butanediol, and 1,3-Butanediol at 10.00 kPa
Pvap	39.45	kPa	451.70	Isobaric Vapor Liquid Equilibria for the Binary Mixtures Composed of Ethylene Glycol, 1,2-Propylene Glycol, 1,2-Butanediol, and 1,3-Butanediol at 10.00 kPa
Pvap	41.39	kPa	453.10	Isobaric Vapor Liquid Equilibria for the Binary Mixtures Composed of Ethylene Glycol, 1,2-Propylene Glycol, 1,2-Butanediol, and 1,3-Butanediol at 10.00 kPa
n0	[1.43080; 1.44120]		[293.15; 318.15]
n0	1.44120		293.15	Refractive Indices and Deviations in Refractive Indices for Binary Mixtures of Formamide + 1-Butanol, + 2-Butanol, + 1,3-Butanediol, and + 1,4-Butanediol at Temperatures from (293.15 to 318.15) K
n0	1.43900		298.15	Densities, Dynamic Viscosities, Speeds of Sound, and Relative Permittivities for Water + Alkanediols (Propane-1,2- and -1,3-diol and Butane-1,2-, -1,3-, -1,4-, and -2,3-Diol) at Different Temperatures
n0	1.43910		298.15	Refractive Indices and Deviations in Refractive Indices for Binary Mixtures of Formamide + 1-Butanol, + 2-Butanol, + 1,3-Butanediol, and + 1,4-Butanediol at Temperatures from (293.15 to 318.15) K
n0	1.44000		298.15	NCMS SOLV-DB
n0	1.43830		298.20	Dielectric properties of binary mixtures of three butanediols with 1,4-dioxane and 2-ethyl-1-hexanol at T = 298.2 K
n0	1.43700		303.15	Refractive Indices and Deviations in Refractive Indices for Binary Mixtures of Formamide + 1-Butanol, + 2-Butanol, + 1,3-Butanediol, and + 1,4-Butanediol at Temperatures from (293.15 to 318.15) K
n0	1.43490		308.15	Refractive Indices and Deviations in Refractive Indices for Binary Mixtures of Formamide + 1-Butanol, + 2-Butanol, + 1,3-Butanediol, and + 1,4-Butanediol at Temperatures from (293.15 to 318.15) K
n0	1.43290		313.15	Refractive Indices and Deviations in Refractive Indices for Binary Mixtures of Formamide + 1-Butanol, + 2-Butanol, + 1,3-Butanediol, and + 1,4-Butanediol at Temperatures from (293.15 to 318.15) K
n0	1.43080		318.15	Refractive Indices and Deviations in Refractive Indices for Binary Mixtures of Formamide + 1-Butanol, + 2-Butanol, + 1,3-Butanediol, and + 1,4-Butanediol at Temperatures from (293.15 to 318.15) K
ρl	[984.51; 1001.87]	kg/m3	[298.15; 323.15]
ρl	1001.87	kg/m3	298.15	Acoustic and volumetric study of renewable oxygenated fuel additives at (298.15-323.15) K: Isomeric butanediols with ethylbutyrate
ρl	1001.82	kg/m3	298.15	Measurement and Modeling of Volumetric Properties and Speeds of Sound of Several Mixtures of Alcohol Liquids Containing Butanediol
ρl	1000.42	kg/m3	298.15	Excess molar heat capacities for (1-butanol+1,3-butanediol) at temperatures from (285 to 353) K
ρl	1001.20	kg/m3	298.20	Temperature and concentration dependence of the relative permittivity of (1,3-butanediol + 1-octanol or 1,4-dioxane) binary liquid mixtures
ρl	998.42	kg/m3	303.15	Measurement and Modeling of Volumetric Properties and Speeds of Sound of Several Mixtures of Alcohol Liquids Containing Butanediol
ρl	998.41	kg/m3	303.15	Acoustic and volumetric study of renewable oxygenated fuel additives at (298.15-323.15) K: Isomeric butanediols with ethylbutyrate
ρl	991.28	kg/m3	308.15	Effect of B-cyclodextrin on the behaviour of thermophysical and spectroscopic properties of binary mixtures of (isomeric butanediol + pyrrolidin-2-one)
ρl	991.28	kg/m3	308.15	Thermodynamic, transport, and spectroscopic studies for mixtures of isomeric butanediol and N-methyl-2-pyrrolidinone
ρl	994.94	kg/m3	308.15	Acoustic and volumetric study of renewable oxygenated fuel additives at (298.15-323.15) K: Isomeric butanediols with ethylbutyrate
ρl	991.28	kg/m3	308.15	A comparative study of thermophysical and spectroscopic properties in mixtures of isomeric butanediol and N,N-dimethylformamide
ρl	991.28	kg/m3	308.15	Effect of placement of hydroxyl groups in isomeric butanediol on the behaviour of thermophysical and spectroscopic properties of pyrrolidin-2-one
ρl	994.99	kg/m3	308.15	Measurement and Modeling of Volumetric Properties and Speeds of Sound of Several Mixtures of Alcohol Liquids Containing Butanediol
ρl	991.49	kg/m3	313.15	Acoustic and volumetric study of renewable oxygenated fuel additives at (298.15-323.15) K: Isomeric butanediols with ethylbutyrate
ρl	991.53	kg/m3	313.15	Measurement and Modeling of Volumetric Properties and Speeds of Sound of Several Mixtures of Alcohol Liquids Containing Butanediol
ρl	988.02	kg/m3	318.15	Acoustic and volumetric study of renewable oxygenated fuel additives at (298.15-323.15) K: Isomeric butanediols with ethylbutyrate
ρl	988.03	kg/m3	318.15	Measurement and Modeling of Volumetric Properties and Speeds of Sound of Several Mixtures of Alcohol Liquids Containing Butanediol
ρl	984.56	kg/m3	323.15	Acoustic and volumetric study of renewable oxygenated fuel additives at (298.15-323.15) K: Isomeric butanediols with ethylbutyrate
ρl	984.51	kg/m3	323.15	Measurement and Modeling of Volumetric Properties and Speeds of Sound of Several Mixtures of Alcohol Liquids Containing Butanediol
csound,fluid	[1467.86; 1537.73]	m/s	[292.92; 318.32]
csound,fluid	1537.73	m/s	292.92	Study of the Acoustic and Thermodynamic Properties of 1,2- and 1,3-Butanediol by Means of High-Pressure Speed of Sound Measurements at Temperatures from (293 to 318) K and Pressures up to 101 MPa
csound,fluid	1523.31	m/s	298.20	Study of the Acoustic and Thermodynamic Properties of 1,2- and 1,3-Butanediol by Means of High-Pressure Speed of Sound Measurements at Temperatures from (293 to 318) K and Pressures up to 101 MPa
csound,fluid	1509.72	m/s	303.17	Study of the Acoustic and Thermodynamic Properties of 1,2- and 1,3-Butanediol by Means of High-Pressure Speed of Sound Measurements at Temperatures from (293 to 318) K and Pressures up to 101 MPa
csound,fluid	1495.99	m/s	308.16	Study of the Acoustic and Thermodynamic Properties of 1,2- and 1,3-Butanediol by Means of High-Pressure Speed of Sound Measurements at Temperatures from (293 to 318) K and Pressures up to 101 MPa
csound,fluid	1482.26	m/s	313.14	Study of the Acoustic and Thermodynamic Properties of 1,2- and 1,3-Butanediol by Means of High-Pressure Speed of Sound Measurements at Temperatures from (293 to 318) K and Pressures up to 101 MPa
csound,fluid	1467.86	m/s	318.32	Study of the Acoustic and Thermodynamic Properties of 1,2- and 1,3-Butanediol by Means of High-Pressure Speed of Sound Measurements at Temperatures from (293 to 318) K and Pressures up to 101 MPa
γ	0.04	N/m	298.15	NCMS SOLV-DB

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[115.03; 263.57]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			8.15200e+00
Coefficient B			4.57720e-01
Coefficient C			-2.57800e-04
Coefficient D			5.55000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	115.03	J/mol×K	273.00	Calculated Property
Cp,gas	140.27	J/mol×K	353.78	Calculated Property
Cp,gas	162.93	J/mol×K	434.56	Calculated Property
Cp,gas	183.16	J/mol×K	515.33	Calculated Property
Cp,gas	201.15	J/mol×K	596.11	Calculated Property
Cp,gas	217.07	J/mol×K	676.89	Calculated Property
Cp,gas	231.10	J/mol×K	757.67	Calculated Property
Cp,gas	243.41	J/mol×K	838.44	Calculated Property
Cp,gas	254.17	J/mol×K	919.22	Calculated Property
Cp,gas	263.57	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[376.72; 488.93]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.87497e+01
Coefficient B			-5.54127e+03
Coefficient C			-7.65780e+01
Temperature range, min.			376.72
Temperature range, max.			488.93
Pvap	1.33	kPa	376.72	Calculated Property
Pvap	2.78	kPa	389.19	Calculated Property
Pvap	5.49	kPa	401.66	Calculated Property
Pvap	10.31	kPa	414.12	Calculated Property
Pvap	18.51	kPa	426.59	Calculated Property
Pvap	31.90	kPa	439.06	Calculated Property
Pvap	53.04	kPa	451.53	Calculated Property
Pvap	85.34	kPa	463.99	Calculated Property
Pvap	133.29	kPa	476.46	Calculated Property
Pvap	202.66	kPa	488.93	Calculated Property
Pvap	[3.86e-11; 5009.63]	kPa	[196.15; 643.00]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			1.93946e+02
Coefficient B			-1.61131e+04
Coefficient C			-2.58392e+01
Coefficient D			1.62357e-05
Coefficient E			0.00000e+00
Temperature range, min.			196.15
Temperature range, max.			643.00
Pvap	3.86e-11	kPa	196.15	Calculated Property
Pvap	2.60e-06	kPa	245.80	Calculated Property
Pvap	2.11e-03	kPa	295.45	Calculated Property
Pvap	0.16	kPa	345.10	Calculated Property
Pvap	3.27	kPa	394.75	Calculated Property
Pvap	28.78	kPa	444.40	Calculated Property
Pvap	151.89	kPa	494.05	Calculated Property
Pvap	580.34	kPa	543.70	Calculated Property
Pvap	1811.75	kPa	593.35	Calculated Property
Pvap	5009.63	kPa	643.00	Calculated Property
Pvap	[0.09; 96.73]	kPa	[295.40; 479.70]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			2.43634e+01
Coefficient B			-1.40577e+04
Coefficient C			2.30590e+02
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			295.40
Temperature range, max.			479.70
Pvap	0.09	kPa	295.40	Calculated Property
Pvap	0.26	kPa	315.88	Calculated Property
Pvap	0.65	kPa	336.36	Calculated Property
Pvap	1.54	kPa	356.83	Calculated Property
Pvap	3.45	kPa	377.31	Calculated Property
Pvap	7.33	kPa	397.79	Calculated Property
Pvap	14.85	kPa	418.27	Calculated Property
Pvap	28.82	kPa	438.74	Calculated Property
Pvap	53.75	kPa	459.22	Calculated Property
Pvap	96.73	kPa	479.70	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Butanediol.

Mixtures

• 2-Pyrrolidinone, 1-methyl- + 1,3-Butanediol
• 1-Butanol + 1,3-Butanediol
• Water + 1,3-Butanediol
• 1-Decanol + Water + 1,3-Butanediol
• 1-Octanol + 1,3-Butanediol
• 1,4-Dioxane + 1,3-Butanediol
• 1-Hexanol, 2-ethyl- + Water + 1,3-Butanediol
• Methyl Alcohol + 1,3-Butanediol
• Butanoic acid, ethyl ester + 1,3-Butanediol
• 2-Pyrrolidinone + 1,3-Butanediol
• Sodium bromide + Water + 1,3-Butanediol
• Water + 1,3-Butanediol + Ammonium bromide
• Tetraethylammonium bromide + Water + 1,3-Butanediol
• Formamide, N,N-dimethyl- + 1,3-Butanediol
• Formamide + 1,3-Butanediol
• 1-Hexanol, 2-ethyl- + 1,3-Butanediol
• Propane, 2-chloro-2-methyl- + 1,3-Butanediol
• Propylene Glycol + 1,3-Butanediol
• 1,2-Ethanediol + 1,3-Butanediol

Sources

• KDB Vapor Pressure Data
• IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 ChEDL chemicals 1.5.2, from Kudchadker, A. P.; Ambrose, D.; Tsonopoulos, C. Vapor-Liquid Critical Properties of Elements and Compounds. 7. Oxygen Compounds Other Than Alkanols and Cycloalkanols. J. Chem. Eng. Data 2001, 46, 457-479.
• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• Cheméo Relay (1.0)
• Crippen Method
• Isopiestic determination of osmotic and activity coefficients of aqueous solutions of aliphatic polyols at 298.15K
• Molecular interactions in binary mixtures of formamide with 1-butanol, 2-butanol, 1,3-butanediol and 1,4-butanediol at different temperatures: An ultrasonic and viscometric study
• Phase equilibria in ternary aqueous mixtures of 1,3-butanediol with 2-ethyl-1-hexanol at T = (298.2, 303.2 and 308.2) K
• Liquid phase behavior of hexafluorophosphate ionic liquids with polyhydric alcohols
• Phase behavior of imidazolium and phosphonium tetrafluoroborates with dihydroxy alcohols
• tert-Butyl chloride as a probe of the solvophobic effects
• Excess molar heat capacities for (1-butanol+1,3-butanediol) at temperatures from (285 to 353) K
• Effect of placement of hydroxyl groups in isomeric butanediol on the behaviour of thermophysical and spectroscopic properties of pyrrolidin-2-one
• A comparative study of thermophysical and spectroscopic properties in mixtures of isomeric butanediol and N,N-dimethylformamide
• Partial molar volumes of organic solutes in water. XV. Butanediols(aq) at temperatures from (298 K to 573 K) and at pressures up to 30 MPa
• Thermodynamic, transport, and spectroscopic studies for mixtures of isomeric butanediol and N-methyl-2-pyrrolidinone
• Experimental study of the excess molar volume of ternary mixtures containing {water + (1,2-propanediol, or 1,3-propanediol, or 1,2-butanediol, or 1,3-butanediol, or 1,4-butanediol, or 2,3-butanediol) + electrolytes} at a temperature of 298.15 K and atmospheric pressure
• Dielectric properties of binary mixtures of three butanediols with 1,4-dioxane and 2-ethyl-1-hexanol at T = 298.2 K
• Effect of B-cyclodextrin on the behaviour of thermophysical and spectroscopic properties of binary mixtures of (isomeric butanediol + pyrrolidin-2-one)
• Temperature and concentration dependence of the relative permittivity of (1,3-butanediol + 1-octanol or 1,4-dioxane) binary liquid mixtures
• Molar heat capacities for {isomer of butanediol + methanol} as function of mixture composition and temperature
• Acoustic and volumetric study of renewable oxygenated fuel additives at (298.15-323.15) K: Isomeric butanediols with ethylbutyrate
• Enthalpies of dilution of aqueous solutions of n-butanol, butanediols, 1,2,4-butanetriol, and 1,2,3,4-butanetetrol at 298.15K
• Measurement and correlation of tie-line data in ternary aqueous mixtures of 1,3-butanediol with decanol at different temperatures
• Densities, Dynamic Viscosities, Speeds of Sound, and Relative Permittivities for Water + Alkanediols (Propane-1,2- and -1,3-diol and Butane-1,2-, -1,3-, -1,4-, and -2,3-Diol) at Different Temperatures
• Critical Point and Vapor Pressure Measurements for 17 Compounds by a Low Residence Time Flow Method
• Vapor Pressures and Enthalpies of Vaporization of a Series of the 1,3-Alkanediols
• Miscibility Phenomena in Systems Containing Polyhydroxy Alcohols and Ionic Liquids
• Partial Molar Isentropic Compressions and Partial Molar Volumes of Isomeric Butanediols at Infinite Dilution in Water at Temperatures T = (278 to 318) K and Atmospheric Pressure
• Isobaric Vapor Liquid Equilibria for the Binary Mixtures Composed of Ethylene Glycol, 1,2-Propylene Glycol, 1,2-Butanediol, and 1,3-Butanediol at 10.00 kPa
• Measurement and Modeling of Volumetric Properties and Speeds of Sound of Several Mixtures of Alcohol Liquids Containing Butanediol
• Study of the Acoustic and Thermodynamic Properties of 1,2- and 1,3-Butanediol by Means of High-Pressure Speed of Sound Measurements at Temperatures from (293 to 318) K and Pressures up to 101 MPa
• Refractive Indices and Deviations in Refractive Indices for Binary Mixtures of Formamide + 1-Butanol, + 2-Butanol, + 1,3-Butanediol, and + 1,4-Butanediol at Temperatures from (293.15 to 318.15) K
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• NCMS SOLV-DB
• The Yaws Handbook of Vapor Pressure

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